SCHEMBL4170816

SCHEMBL4170816

Cc1ccc2c(n1)CC(C)CC2=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.53
MAOB P27338 3/20 0.53
CYP2C19 P33261 1/20 0.51
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.45
USP2 O75604 1/20 0.45
STAT1 P42224 1/20 0.43
MAPT P10636 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18257983 0.81 GRM5 (0.54) GRM5MAOBRAB9AALDH1A1NPC1
SCHEMBL7683241 0.77 TSHR (0.58) MAOBCYP2C19ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7689298 0.73 HPGD (0.52) CYP2C19ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL12983650 0.73 CYP2C19 (0.58) GRM5CYP2C19RAB9AALDH1A1NPC1
SCHEMBL9909843 0.73 HTR2A (0.38) GRM5MAOBCYP2C19RAB9AALDH1A1
SCHEMBL31067757 0.73 CYP2C19 (0.58) GRM5CYP2C19RAB9AALDH1A1NPC1
SCHEMBL9835747 0.71 GRM5 (0.51) GRM5MAOBRAB9AALDH1A1NPC1
SCHEMBL4174505 0.71 CYP2C19 (0.41) GRM5MAOBCYP2C19
SCHEMBL9953953 0.71 GRM5 (1.00) GRM5MAOBRAB9AALDH1A1NPC1
SCHEMBL3894956 0.70 CYP2C19 (0.54) GRM5MAOBCYP2C19RAB9AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED 2009-03-19 US disclosed
US-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders GLAXO GROUP LIMITED (GB) 2006-11-23 US disclosed
EP-1562917-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2005-08-17 EP disclosed
WO-2004046124-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2004-06-03 WO disclosed
US-4603199-A Phenyl-substituted tricyclic antibacterial agent intermediates RIKER LABORATORIES, INC. (US) 1986-07-29 US disclosed
US-4443447-A Phenyl-substituted tricyclic antibacterial agents RIKER LABORATORIES, INC. (US) 1984-04-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders XDH, CYP4X1, PDHX GRM5 480/4885MAOB 19/4885CYP2C19 40/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX GRM5 635/4885MAOB 46/4885CYP2C19 35/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.